8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C49H44IrN4OSi-2 — CID 156669372

About 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156669372) has the molecular formula C49H44IrN4OSi-2 and a molecular weight of 925.22 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 156669372
• Molecular Formula: C49H44IrN4OSi-2
• Molecular Weight: 925.22 g/mol
• Exact Mass: 925.29
• IUPAC Name: 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1Cc1ccccc1
• InChI: InChI=1S/C31H20N3O.C18H24NSi.Ir/c1-3-10-21(11-4-1)20-34-28-17-8-7-16-27(28)32-30(34)25-15-9-14-23-24-18-19-26(22-12-5-2-6-13-22)33-31(24)35-29(23)25;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-14,16-19H,20H2;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: RLCIFJPUNJYCOD-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.22
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156669372) is 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1Cc1ccccc1.

What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is RLCIFJPUNJYCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N3O.C18H24NSi.Ir/c1-3-10-21(11-4-1)20-34-28-17-8-7-16-27(28)32-30(34)25-15-9-14-23-24-18-19-26(22-12-5-2-6-13-22)33-31(24)35-29(23)25;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-14,16-19H,20H2;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 925.22 g/mol, XLogP of 11.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-benzylbenzimidazol-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156669372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).